Geometry & MOs

Info

ID:

416861

PubChem CID:

135090611

Reduced:

SO6N7C30H43 (1)

Stoich.:

AB6C7D30E43 (1)

Weight, g/mol:

341.185175

ΔHf, kcal/mol:

-234.41

Dipole, Da:

8.06

IP(EA), eV:

 -8.82(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CN=C(S3)N)C(C)C

DOS

IR

Vibrations